2-[[4-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[[4-methyl-3-(1-piperidylsulfonyl)benzoyl]amino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[(4-methyl-3-piperidinosulfonyl-benzoyl)amino]phenyl]sulfonylamino]acetic acid Formula: C21H25N3O7S2 MolecularWeight: 495.5691

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H25N3O7S2/c1-15-5-6-16(13-19(15)33(30,31)24-11-3-2-4-12-24)21(27)23-17-7-9-18(10-8-17)32(28,29)22-14-20(25)26/h5-10,13,22H,2-4,11-12,14H2,1H3,(H,23,27)(H,25,26)